SCHEMBL6635558

SCHEMBL6635558

COc1ccc2cccc3c2c1CCC3CCCC[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.60
MTNR1B P49286 12/20 0.60
SIGMAR1 Q99720 1/20 0.41
DRD4 P21917 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6636448 0.82 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL7740241 0.81 MTNR1B (0.69) MTNR1AMTNR1B
SCHEMBL6635962 0.81 MTNR1B (0.69) MTNR1AMTNR1B
SCHEMBL6636125 0.79 MTNR1A (0.67) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7743440 0.78 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL6635715 0.77 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL7741310 0.76 MTNR1B (0.60) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7735712 0.76 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL6633599 0.75 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6633916 0.75 MTNR1A (0.70) MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047664-B1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-05-19 EP disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed